Information card for entry 7151238

Structure parameters

• Formula: C20 H30 I2 N2 O2
• Calculated formula: C20 H30 I2 N2 O2
• Title of publication: Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.
• Authors of publication: Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 3358 - 3366
• a: 26.338 ± 0.013 Å
• b: 9.477 ± 0.005 Å
• c: 32.834 ± 0.015 Å
• α: 90°
• β: 97.759 ± 0.006°
• γ: 90°
• Cell volume: 8121 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No